8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one

C18H22N4O — CID 171328105

IUPAC8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CC=CCC3)ncc12
InChIInChI=1S/C18H22N4O/c1-13-11-16(23)22(14-7-3-4-8-14)17-15(13)12-19-18(20-17)21-9-5-2-6-10-21/h2,5,11-12,14H,3-4,6-10H2,1H3
InChIKeyRBUTVDKOHGNNLU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.98
Rot. Bonds2

About 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 171328105) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID171328105
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CC=CCC3)ncc12
InChIInChI=1S/C18H22N4O/c1-13-11-16(23)22(14-7-3-4-8-14)17-15(13)12-19-18(20-17)21-9-5-2-6-10-21/h2,5,11-12,14H,3-4,6-10H2,1H3
InChIKeyRBUTVDKOHGNNLU-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 171328105) is 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(N3CC=CCC3)ncc12.
What is the InChIKey of 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RBUTVDKOHGNNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-11-16(23)22(14-7-3-4-8-14)17-15(13)12-19-18(20-17)21-9-5-2-6-10-21/h2,5,11-12,14H,3-4,6-10H2,1H3.
What are the key properties of 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 310.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171328105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).